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  • American Physical Society (APS)
  • International Union of Crystallography (IUCr)
  • 2000-2004  (4,318)
  • 1985-1989  (6,250)
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Year
  • 1
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    Chaos from Hopf Bifurcation in a fluid flow experiment (2004)
    American Physical Society (APS)
    In:  Physical Review E, 70 (046209).
    Details
    Publication Date: 2019-02-27
    Description: Results of an experimental study of a Hopf bifurcation with broken translation symmetry that organizes chaotic homoclinic dynamics from a T2 torus in a fluid flow as a direct consequence of physical boundaries are presented. It is shown that the central features of the theory of Hopf bifurcation in O(2)-symmetric systems where the translation symmetry is broken are robust and are appropriate to describe the appearance of modulated waves, homoclinic bifurcation, Takens-Bogdanov point, and chaotic dynamics in a fluid flow experiment.
    Type: Article , PeerReviewed
    Format: text
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  • 2
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    Standing waves in flow between finite counter-rotations cylinders (2003)
    American Physical Society (APS)
    In:  Physical Review E, 68 (056308).
    Details
    Publication Date: 2017-01-03
    Description: Experimental evidence for standing waves resulting from a supercritical Hopf bifurcation that appears as the first pattern-forming instability in counterrotating Taylor-Couette flow is presented. Depending on the aspect ratio two different types of standing waves, denoted as SW0 and SWp, could be observed. Both modes have an azimuthal wave number m51 but differ in symmetry. While for SWp , a spatiotemporal glide-reflection symmetry could be found, SW0 is purely spatial reflection symmetric. The transition between the two modes is found to be organized in a cusp bifurcation unfolded by variations of the aspect ratio. The ‘‘classical’’ spiral vortex flow appears in this control parameter regime only as a result of a secondary steady bifurcation from SW0. This transition is found to be either subcritical or supercritical. The experimentally observed bifurcation structure has been predicted by theory of Hopf bifurcation to spiral vortex flow in finite counterrotating Taylor-Couette systems.
    Type: Article , PeerReviewed
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  • 3
    Electronic Resource
    Electronic Resource
    New methods for diffraction stress measurement: a critical evaluation of new and existing methods (2000)
    Copenhagen : International Union of Crystallography (IUCr)
    Applied crystallography online 33 (2000), S. 1059-1066 
    Details
    ISSN: 1600-5767
    Source: Crystallography Journals Online : IUCR Backfile Archive 1948-2001
    Topics: Geosciences , Physics
    Notes: New methods of diffraction stress analysis of polycrystalline materials, consisting of cubic elastically anisotropic crystallites, are proposed and compared with existing methods. Whereas for the existing methods knowledge of the diffraction elastic constants is presupposed, three new methods are presented that require only knowledge of the (macroscopic) mechanical elastic constants. The stress values obtained with these new methods on the basis of the mechanical elastic constants are more reliable than those obtained with the methods on the basis of the diffraction elastic constants. New and existing methods are illustrated by means of measurements of X-ray diffraction from a magnetron-sputtered TiN layer.
    Type of Medium: Electronic Resource
    URL: http://dx.doi.org/10.1107/S0021889800004258
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  • 4
    Electronic Resource
    Electronic Resource
    Determination of lattice-transform density profiles for multilayered three-dimensional microcrystals in electron crystallography (2000)
    Copenhagen : International Union of Crystallography (IUCr)
    Applied crystallography online 33 (2000), S. 1102-1112 
    Details
    ISSN: 1600-5767
    Source: Crystallography Journals Online : IUCR Backfile Archive 1948-2001
    Topics: Geosciences , Physics
    Notes: Electron crystallography on multilayered three-dimensional microcrystals has been limited in application by the need to define precisely the three-dimensional shape of the diffraction density profiles. A new method is presented here to obtain this profile from experimental spot positions which are shifted in a characteristic way from the expected Bragg positions. While the Bragg positions are defined by the diffraction geometry, the characteristic shift additionally depends on the density profile in Fourier space. In general, these two effects are intermingled. A new correlation approach is presented which uses characteristic shift patterns to separate these effects. This technique also allows the determination of all three crystallographic unit-cell dimensions from a single tilted electron diffraction pattern. It was tested on simulated diffraction patterns and applied to experimental data of frozen hydrated crystals of the protein catalase. Since multilayered catalase crystals with different numbers of crystallographic layers were studied, an inhomogeneous data set had to be evaluated. Processing of such data is now possible using the new correlation approach.
    Type of Medium: Electronic Resource
    URL: http://dx.doi.org/10.1107/S0021889800005963
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  • 5
    Electronic Resource
    Electronic Resource
    Data smoothing and distortion of X-ray diffraction peaks. II. Application (2000)
    Copenhagen : International Union of Crystallography (IUCr)
    Applied crystallography online 33 (2000), S. 1136-1142 
    Details
    ISSN: 1600-5767
    Source: Crystallography Journals Online : IUCR Backfile Archive 1948-2001
    Topics: Geosciences , Physics
    Notes: Based on the analysis of geometric relations, it is found that the amplitude of the distortion of the full width at half-maximum (FWHM) of a peak after smoothing is the largest among the distortions of the seven parameters of a peak: maximum intensity, FWHM, shape, asymmetry, integral intensity, peak position and integral width. Hence the FWHM distortion is used as a criterion of smoothing. The 1% and 5% error limits of smoothing are calculated. Quadratic and quartic polynomial Savitzky–Golay filters are compared. Aberrations of an X-ray diffraction (XRD) peak caused by using double, matched, 1.5 and 0.7 FWHM filters are described in more detail by means of the analyses of internal and external factors. It is found that the smoothing-induced distortions of an actual XRD peak trend towards those of ideal curves. The distortions are classified according to three types of peak. A possible method to obtain the actual peak parameters, called `system smoothing refinement', is presented.
    Type of Medium: Electronic Resource
    URL: http://dx.doi.org/10.1107/S0021889800006944
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  • 6
    Electronic Resource
    Electronic Resource
    Computing in macromolecular crystallography using a parallel architecture (2000)
    Copenhagen : International Union of Crystallography (IUCr)
    Applied crystallography online 33 (2000), S. 1154-1161 
    Details
    ISSN: 1600-5767
    Source: Crystallography Journals Online : IUCR Backfile Archive 1948-2001
    Topics: Geosciences , Physics
    Notes: Despite advances in computer technology, computing in macromolecular crystallography keeps pace in its demand for CPU power. Improvements in CPU speed, together with advances in computing methods that depend on it, often translate into the possibility to solve structures that would otherwise require additional experiments. Programs for data reduction, molecular-replacement programs employing multidimensional searches on a grid in real, Patterson or reciprocal space, and phasing and refinement programs, currently have, among others, the highest requirements for CPU power. For these and other programs, speed-up of calculations as a result of parallel execution on multiprocessor computers is possible. This paper outlines the use of the OpenMP programming interface and reports its successful application for parallelization of ESSENS [Kleywegt & Jones (1997). Acta Cryst. D53, 179–185] and SHELXL [Schneider & Sheldrick (1997). Methods Enzymol. 277, 319–343]. Parallel computing, which is possible as a result of the inherent parallelism of crystallographic algorithms, extends the range of problems in macromolecular crystallography that programs can be applied to and can significantly reduce the time required for progressing from a data set to a refined model.
    Type of Medium: Electronic Resource
    URL: http://dx.doi.org/10.1107/S002188980000697X
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  • 7
    Electronic Resource
    Electronic Resource
    Development of a graphical interface for the Rietveld refinement program DBWS (2000)
    Copenhagen : International Union of Crystallography (IUCr)
    Applied crystallography online 33 (2000), S. 1189-1189 
    Details
    ISSN: 1600-5767
    Source: Crystallography Journals Online : IUCR Backfile Archive 1948-2001
    Topics: Geosciences , Physics
    Type of Medium: Electronic Resource
    URL: http://dx.doi.org/10.1107/S0021889800005410
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  • 8
    Electronic Resource
    Electronic Resource
    SUBGROUPGRAPH: a computer program for analysis of group–subgroup relations between space groups (2000)
    Copenhagen : International Union of Crystallography (IUCr)
    Applied crystallography online 33 (2000), S. 1190-1191 
    Details
    ISSN: 1600-5767
    Source: Crystallography Journals Online : IUCR Backfile Archive 1948-2001
    Topics: Geosciences , Physics
    Type of Medium: Electronic Resource
    URL: http://dx.doi.org/10.1107/S0021889800007135
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  • 9
    Electronic Resource
    Electronic Resource
    Polar potassium rare earth nitrates K2[RE(NO3)5(H2O)2] (RE = La, Ce, Pr and Nd). II. Linear and nonlinear optical properties (2000)
    Copenhagen : International Union of Crystallography (IUCr)
    Applied crystallography online 33 (2000), S. 380-386 
    Details
    ISSN: 1600-5767
    Source: Crystallography Journals Online : IUCR Backfile Archive 1948-2001
    Topics: Geosciences , Physics
    Notes: Linear and nonlinear optical properties of the four isomorphic orthorhombic (point group mm2) potassium rare earth nitrates K2[RE(NO3)5(H2O)2], with RE = La, Ce, Pr or Nd, have been investigated. Refractive indices in a wavelength range from 0.35 to 2.5 µm and the transmission spectra between 0.25 to 3.0 µm were measured. Using the Maker fringe technique, the d_{ijk}^{\rm\, SHG} coefficients of second-harmonic generation for a fundamental of the Nd–YAP laser (λ = 1079.5 nm) were determined for all four compounds. The d_{ijk}^{\rm\, SHG} coefficients of all four substances are about three times larger than those of KDP, as was first published by Ebbers et al. [IEEE J. Quantum Electron. (1993), 29, 497–507] for K2[La(NO3)5(H2O)2]. These nitrates are promising materials for application to nonlinear optics (e.g. second-harmonic generation of Nd laser radiation). The nonlinear optical properties of these compounds seem to have their origin mainly in the nitrate groups, as indicated by a simple model (summing the molecular hyperpolarizabilities of the NO3 group). Neglecting local field effects, the hyperpolarizability of the NO3 group was calculated as β222 = 2.52 × 10−40 m4 V−1.
    Type of Medium: Electronic Resource
    URL: http://dx.doi.org/10.1107/S002188980000087X
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  • 10
    Electronic Resource
    Electronic Resource
    The disordered structure of tetraferrocenyl-[3]-cumulene, (Fc)2C=C=C=C(Fc)2, by simulated annealing using synchrotron powder diffraction data (2000)
    Copenhagen : International Union of Crystallography (IUCr)
    Applied crystallography online 33 (2000), S. 1199-1207 
    Details
    ISSN: 1600-5767
    Source: Crystallography Journals Online : IUCR Backfile Archive 1948-2001
    Topics: Geosciences , Physics
    Notes: In the molecular structure of tetraferrocenyl-[3]-cumulene, (Fc)2C=C=C=C(Fc)2, four ferrocene molecules are connected via a linear bridge consisting of four carbon atoms. At room temperature, the crystal structure has space group P21/a (Z = 1) with a = 13.104 (5), b = 6.121 (2), c = 11.194 (4) Å, β = 114.922 (1)° and V = 814.3 (8) Å3. A phase transition during cooling was not observed from room temperature to 75 K. From high-resolution X-ray powder diffraction data, the structure of the room-temperature phase was solved by the method of simulated annealing and refined by the Rietveld method using rigid bodies and restraints. The crystal structure was found to be highly disordered with the molecules occupying two orientations with equal probability and a 50% occupancy of the carbon atoms in the cumulene bridge. The disorder could be modelled by stacking faults in ordered structures. In contrast to other compounds of this class, the ferrocenyl groups are in a syn rather than in an up–down conformation with respect to the cumulene bridge.
    Type of Medium: Electronic Resource
    URL: http://dx.doi.org/10.1107/S0021889800007470
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